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Nov 2

The Complexity Kink: A Prompt-Side Structural Complexity Index for Code-Generation Reliability

Measuring complexity from a model's own code is biased by failure: a hard prompt can produce a short, broken program that looks simple. We instead score each prompt's structure on six dimensions from the prompt alone, never from generated code or test results. We draw 5,000 Python prompts across six bands of a preliminary single-rater score, and four out-of-panel LLM judges rescore every prompt (composite ICC(2,1) = 0.872). Twenty-one models answer every prompt (105,000 generations), and an independent LLM auditor, checked against known-answer cases, reviews each unit-test verdict. Averaged over models, pass rate has a nonmonotone breakpoint at composite 14.0: 83.4% at or below, 90.1% above. That jump is not a law of difficulty: with task-type fixed effects the breakpoint stays at 14.0 but the adjusted jump shrinks from 6.8 to 0.4 points, and neither of the benchmark's two prompt sources reproduces it on its own. Nineteen models pass more often above their own breakpoint and two less often; one of those declines comes from API calls that returned nothing. In post hoc follow-up, Kimi K2.5 shows the clearest decline, at 14.25, under a prompt-source control and within the later source alone. Among failed generations with measurable output complexity, 25.0% pair a prompt composite above 8 with output complexity of at most 10, twice the share among passing ones. The pooled breakpoint moves to 11.25 on raw test outcomes. Human agreement with the index is moderate, paraphrase and cross-language rescoring preserve its ordering, and overidentification tests reject the six dimensions as instruments, so we make no causal claim. The contribution is a prompt-side way to locate where each model's pass rate changes and to test how much that depends on the prompt mix and on how success is scored.

  • 2 authors
·
Oct 19

How Generation Architecture Shapes Code Complexity in Multi-Agent LLM Systems: A Paired Study on HumanEval

Large-language-model code generation has shifted from single-shot prompting to multi-agent orchestrations - analyst, coder, tester, and debugger pipelines - and is evaluated almost exclusively on functional correctness. Whether these architectures also affect the structural complexity of the code they produce, and which orchestration layers carry the cost, remains largely unexamined: prior work has documented prompt-level effects on code complexity, but the architecture-level question is open. We compare six widely-used multi-agent configurations (Basic, AC, ACT, Debugger, AC+Debugger, ACT+Debugger) under two models from the GPT-4o family across all 164 HumanEval tasks - 1,968 paired observations - using the five RADON complexity metrics (SLOC, cyclomatic complexity, and Halstead Volume, Difficulty, and Effort). We apply a paired non-parametric statistical pipeline (Friedman omnibus, Wilcoxon signed-rank post-hoc with Holm correction, Kendall's W and matched-pairs rank-biserial effect sizes) in both all-completions and passing-only conditions. The six architectures collapse into two indistinguishable complexity clusters separated by a 50-130% gap, the same partition in both models and under both conditions; among the architectural layers, the analyst-coder split inflates complexity, the runtime debugger does not - and on the analyst-coder background actively deflates it - and the tester re-inflates it. The heavy cluster's additional complexity buys no pass@1 advantage: the leanest architectures match or beat the heaviest on accuracy. Architectural elaboration in LLM code generation should therefore be justified by measured benefit on the dimensions that matter, not assumed.

  • 1 authors
·
May 28

CarCrashNet: A Large-Scale Dataset and Hierarchical Neural Solver for Data-Driven Structural Crash Simulation

Crash simulation is a cornerstone of modern vehicle development because it reduces the need for costly physical prototypes, accelerates safety-driven design iteration, and increasingly supports virtual testing workflows. At the same time, modeling structural crash mechanics remains exceptionally challenging: the response is governed by nonlinear contact, large deformation, material plasticity, failure, and complex multi-body interactions evolving over space and time on high-resolution finite-element meshes. In this work, we introduce CarCrashNet, a public high-fidelity open-source benchmark for data-driven structural crash simulation. CarCrashNet combines component-scale and full-vehicle simulations in a multi-modal format, including more than 14{,}000 bumper-beam pole-impact simulations with varying geometry, materials, and boundary conditions, together with 825 full-vehicle crash simulations built from three industry-standard vehicle models of increasing structural complexity: Dodge Neon, Toyota Yaris, and Chevrolet Silverado. To establish the reliability of the benchmark, we validate our open-source finite-element workflow based on OpenRadioss against both experimental crash data and the commercial solver Ansys LS-DYNA. We also introduce CrashSolver, a machine-learning model designed for full-vehicle crash prediction from high-resolution finite-element crash data. We further perform extensive benchmarking across the released datasets and evaluate CrashSolver against state-of-the-art geometric deep learning and transformer-based neural solvers. Our results position CarCrashNet as a foundation for reproducible research in structural simulation, crashworthiness modeling, and AI-driven virtual crash testing. The dataset is available at https://github.com/Mohamedelrefaie/CarCrashNet.

  • 4 authors
·
May 7

SRUM: Fine-Grained Self-Rewarding for Unified Multimodal Models

Recently, remarkable progress has been made in Unified Multimodal Models (UMMs), which integrate vision-language generation and understanding capabilities within a single framework. However, a significant gap exists where a model's strong visual understanding often fails to transfer to its visual generation. A model might correctly understand an image based on user instructions, yet be unable to generate a faithful image from text prompts. This phenomenon directly raises a compelling question: Can a model achieve self-improvement by using its understanding module to reward its generation module? To bridge this gap and achieve self-improvement, we introduce SRUM, a self-rewarding post-training framework that can be directly applied to existing UMMs of various designs. SRUM creates a feedback loop where the model's own understanding module acts as an internal ``evaluator'', providing corrective signals to improve its generation module, without requiring additional human-labeled data. To ensure this feedback is comprehensive, we designed a global-local dual reward system. To tackle the inherent structural complexity of images, this system offers multi-scale guidance: a global reward ensures the correctness of the overall visual semantics and layout, while a local reward refines fine-grained, object-level fidelity. SRUM leads to powerful capabilities and shows strong generalization, boosting performance on T2I-CompBench from 82.18 to 88.37 and on T2I-ReasonBench from 43.82 to 46.75. Overall, our work establishes a powerful new paradigm for enabling a UMMs' understanding module to guide and enhance its own generation via self-rewarding.

Understanding Chain-of-Thought in Large Language Models via Topological Data Analysis

With the development of large language models (LLMs), particularly with the introduction of the long reasoning chain technique, the reasoning ability of LLMs in complex problem-solving has been significantly enhanced. While acknowledging the power of long reasoning chains, we cannot help but wonder: Why do different reasoning chains perform differently in reasoning? What components of the reasoning chains play a key role? Existing studies mainly focus on evaluating reasoning chains from a functional perspective, with little attention paid to their structural mechanisms. To address this gap, this work is the first to analyze and evaluate the quality of the reasoning chain from a structural perspective. We apply persistent homology from Topological Data Analysis (TDA) to map reasoning steps into semantic space, extract topological features, and analyze structural changes. These changes reveal semantic coherence, logical redundancy, and identify logical breaks and gaps. By calculating homology groups, we assess connectivity and redundancy at various scales, using barcode and persistence diagrams to quantify stability and consistency. Our results show that the topological structural complexity of reasoning chains correlates positively with accuracy. More complex chains identify correct answers sooner, while successful reasoning exhibits simpler topologies, reducing redundancy and cycles, enhancing efficiency and interpretability. This work provides a new perspective on reasoning chain quality assessment and offers guidance for future optimization.

  • 13 authors
·
Dec 22, 2025

A Comprehensive Evaluation of LLM Reasoning: From Single-Model to Multi-Agent Paradigms

Large Language Models (LLMs) are increasingly deployed as reasoning systems, where reasoning paradigms - such as Chain-of-Thought (CoT) and multi-agent systems (MAS) - play a critical role, yet their relative effectiveness and cost-accuracy trade-offs remain poorly understood. In this work, we conduct a comprehensive and unified evaluation of reasoning paradigms, spanning direct single-model generation, CoT-augmented single-model reasoning, and representative MAS workflows, characterizing their reasoning performance across a diverse suite of closed-form benchmarks. Beyond overall performance, we probe role-specific capability demands in MAS using targeted role isolation analyses, and analyze cost-accuracy trade-offs to identify which MAS workflows offer a favorable balance between cost and accuracy, and which incur prohibitive overhead for marginal gains. We further introduce MIMeBench, a new open-ended benchmark that targets two foundational yet underexplored semantic capabilities - semantic abstraction and contrastive discrimination - thereby providing an alternative evaluation axis beyond closed-form accuracy and enabling fine-grained assessment of semantic competence that is difficult to capture with existing benchmarks. Our results show that increased structural complexity does not consistently lead to improved reasoning performance, with its benefits being highly dependent on the properties and suitability of the reasoning paradigm itself. The codes are released at https://gitcode.com/HIT1920/OpenLLMBench.

  • 7 authors
·
Jan 18

Chain-of-Query: Unleashing the Power of LLMs in SQL-Aided Table Understanding via Multi-Agent Collaboration

Table understanding requires structured, multi-step reasoning. Large Language Models (LLMs) struggle with it due to the structural complexity of tabular data. Recently, multi-agent frameworks for SQL generation have shown promise in tackling the challenges of understanding tabular data, but existing approaches often suffer from limitations such as the inability to comprehend table structure for reliable SQL generation, error propagation that results in invalid queries, and over-reliance on execution correctness. To address these issues, we propose Chain-of-Query (CoQ), a novel multi-agent framework for SQL-aided table understanding. CoQ adopts natural-language-style representations of table schemas to abstract away structural noise and enhance understanding. It employs a clause-by-clause SQL generation strategy to improve query quality and introduces a hybrid reasoning division that separates SQL-based mechanical reasoning from LLM-based logical inference, thereby reducing reliance on execution outcomes. Extensive experiments across four models and five widely used benchmarks demonstrate that CoQ achieves substantial accuracy improvements and significantly lowers invalid SQL rates compared to prior generic LLM-based, SQL-aided, and hybrid baselines, confirming its superior effectiveness in table understanding. The code is available at https://github.com/SongyuanSui/ChainofQuery.

  • 7 authors
·
Aug 14, 2025

Aligned Agents, Biased Swarm: Measuring Bias Amplification in Multi-Agent Systems

While Multi-Agent Systems (MAS) are increasingly deployed for complex workflows, their emergent properties-particularly the accumulation of bias-remain poorly understood. Because real-world MAS are too complex to analyze entirely, evaluating their ethical robustness requires first isolating their foundational mechanics. In this work, we conduct a baseline empirical study investigating how basic MAS topologies and feedback loops influence prejudice. Contrary to the assumption that multi-agent collaboration naturally dilutes bias, we hypothesize that structured workflows act as echo chambers, amplifying minor stochastic biases into systemic polarization. To evaluate this, we introduce Discrim-Eval-Open, an open-ended benchmark that bypasses individual model neutrality through forced comparative judgments across demographic groups. Analyzing bias cascades across various structures reveals that architectural sophistication frequently exacerbates bias rather than mitigating it. We observe systemic amplification even when isolated agents operate neutrally, and identify a 'Trigger Vulnerability' where injecting purely objective context drastically accelerates polarization. By stripping away advanced swarm complexity to study foundational dynamics, we establish a crucial baseline: structural complexity does not guarantee ethical robustness. Our code is available at https://github.com/weizhihao1/MAS-Bias.

  • 3 authors
·
Apr 12

MORE: A Multilingual Document Parsing Benchmark and Evaluation

Multilingual documents encapsulate rich regional cultures, scientific discoveries, and historical records. Parsing this content into structured, machine-readable formats is critical for unlocking global knowledge. However, existing benchmarks predominantly focus on high-resource languages like English and Chinese, creating an evaluation blind spot concerning model performance on other languages. While recent Vision-Language Models (VLMs) claim support for hundreds of languages, the lack of ground truth makes it impossible to empirically verify these capabilities. To bridge this gap, we introduce MORE, a large-scale benchmark designed for multilingual document parsing evaluation. MORE distinguishes itself through three key dimensions: (1) Unprecedented Scale: It covers 149 languages, making it the most linguistically diverse benchmark to date; (2) Structural Complexity: Unlike previous works, it extends evaluation beyond plain text to include structural elements such as code blocks, tables, and catalogs; and (3) Data Authenticity: All samples are curated from real-world documents via a model-assisted, human-refined annotation pipeline. We evaluate state-of-the-art models using MORE, establishing new performance baselines for long-tail languages and validating the benchmark's effectiveness in diagnosing model capabilities in realistic, diverse scenarios. The MORE dataset will be available at https://github.com/zimoqingfeng/MORE.

  • 9 authors
·
Jul 2

SDS KoPub VDR: A Benchmark Dataset for Visual Document Retrieval in Korean Public Documents

Existing benchmarks for visual document retrieval (VDR) largely overlook non-English languages and the structural complexity of official publications. To address this critical gap, we introduce SDS KoPub VDR, the first large-scale, publicly available benchmark for retrieving and understanding Korean public documents. The benchmark is built upon a corpus of 361 real-world documents (40,781 pages), including 256 files under the KOGL Type 1 license and 105 from official legal portals, capturing complex visual elements like tables, charts, and multi-column layouts. To establish a challenging and reliable evaluation set, we constructed 600 query-page-answer triples. These were initially generated using multimodal models (e.g., GPT-4o) and subsequently underwent a rigorous human verification and refinement process to ensure factual accuracy and contextual relevance. The queries span six major public domains and are systematically categorized by the reasoning modality required: text-based, visual-based (e.g., chart interpretation), and cross-modal. We evaluate SDS KoPub VDR on two complementary tasks that reflect distinct retrieval paradigms: (1) text-only retrieval, which measures a model's ability to locate relevant document pages based solely on textual signals, and (2) multimodal retrieval, which assesses retrieval performance when visual features (e.g., tables, charts, and layouts) are jointly leveraged alongside text. This dual-task evaluation reveals substantial performance gaps, particularly in multimodal scenarios requiring cross-modal reasoning, even for state-of-the-art models. As a foundational resource, SDS KoPub VDR not only enables rigorous and fine-grained evaluation across textual and multimodal retrieval tasks but also provides a clear roadmap for advancing multimodal AI in complex, real-world document intelligence.

  • 6 authors
·
Nov 6, 2025

CoCoLIT: ControlNet-Conditioned Latent Image Translation for MRI to Amyloid PET Synthesis

Synthesizing amyloid PET scans from the more widely available and accessible structural MRI modality offers a promising, cost-effective approach for large-scale Alzheimer's Disease (AD) screening. This is motivated by evidence that, while MRI does not directly detect amyloid pathology, it may nonetheless encode information correlated with amyloid deposition that can be uncovered through advanced modeling. However, the high dimensionality and structural complexity of 3D neuroimaging data pose significant challenges for existing MRI-to-PET translation methods. Modeling the cross-modality relationship in a lower-dimensional latent space can simplify the learning task and enable more effective translation. As such, we present CoCoLIT (ControlNet-Conditioned Latent Image Translation), a diffusion-based latent generative framework that incorporates three main innovations: (1) a novel Weighted Image Space Loss (WISL) that improves latent representation learning and synthesis quality; (2) a theoretical and empirical analysis of Latent Average Stabilization (LAS), an existing technique used in similar generative models to enhance inference consistency; and (3) the introduction of ControlNet-based conditioning for MRI-to-PET translation. We evaluate CoCoLIT's performance on publicly available datasets and find that our model significantly outperforms state-of-the-art methods on both image-based and amyloid-related metrics. Notably, in amyloid-positivity classification, CoCoLIT outperforms the second-best method with improvements of +10.5% on the internal dataset and +23.7% on the external dataset. The code and models of our approach are available at https://github.com/brAIn-science/CoCoLIT.

  • 6 authors
·
Aug 2, 2025

Leveraging the Spatial Hierarchy: Coarse-to-fine Trajectory Generation via Cascaded Hybrid Diffusion

Urban mobility data has significant connections with economic growth and plays an essential role in various smart-city applications. However, due to privacy concerns and substantial data collection costs, fine-grained human mobility trajectories are difficult to become publicly available on a large scale. A promising solution to address this issue is trajectory synthesizing. However, existing works often ignore the inherent structural complexity of trajectories, unable to handle complicated high-dimensional distributions and generate realistic fine-grained trajectories. In this paper, we propose Cardiff, a coarse-to-fine Cascaded hybrid diffusion-based trajectory synthesizing framework for fine-grained and privacy-preserving mobility generation. By leveraging the hierarchical nature of urban mobility, Cardiff decomposes the generation process into two distinct levels, i.e., discrete road segment-level and continuous fine-grained GPS-level: (i) In the segment-level, to reduce computational costs and redundancy in raw trajectories, we first encode the discrete road segments into low-dimensional latent embeddings and design a diffusion transformer-based latent denoising network for segment-level trajectory synthesis. (ii) Taking the first stage of generation as conditions, we then design a fine-grained GPS-level conditional denoising network with a noise augmentation mechanism to achieve robust and high-fidelity generation. Additionally, the Cardiff framework not only progressively generates high-fidelity trajectories through cascaded denoising but also flexibly enables a tunable balance between privacy preservation and utility. Experimental results on three large real-world trajectory datasets demonstrate that our method outperforms state-of-the-art baselines in various metrics.

  • 5 authors
·
Jul 7, 2025

FORT-Searcher: Synthesizing Shortcut-Resistant Search Tasks for Training Deep Search Agents

Training deep search agents requires verifiable questions whose answers remain unavailable until sufficient evidence has been acquired through search. Existing synthesis methods often increase apparent difficulty by enriching graph structures, but structural complexity alone does not guarantee realized search difficulty: the intended search process can collapse through a cheaper identifying route. We formalize this gap with a shortcut-aware difficulty framework and identify four actionable shortcut risks: evidence co-coverage, single-clue selectivity, exposed constants, and prior-knowledge binding. To diagnose their realized effects, we use trajectory signatures including solving cost, answer hit time, and prior-shortcut rate. Guided by this framework, we introduce FORT, a Framework of Shortcut-Resistant Training-Data Synthesis. FORT constructs shortcut-resistant training data by controlling shortcut risks across entity selection, evidence graph construction, question formulation, and adversarial refinement. Experiments show that FORT induces longer pre-answer search and fewer shortcut patterns than existing open-source deep search datasets. Using the resulting trajectories, we train FORT-Searcher with supervised fine-tuning (SFT) only, and it achieves the best overall performance among comparable-size open-source search agents on challenging deep search benchmarks. Relevant resources will be made available at https://github.com/RUCAIBox/FORT-Searcher.

  • 12 authors
·
Jun 9 2

RODS: Reward-Driven Online Data Synthesis for Multi-Turn Tool-Use Agents

Multi-turn tool-use RL is bottlenecked by the rapid depletion of informative samples in static datasets. We observe that the gradient signal in GRPO concentrates on tasks with the highest rollout reward variance, a consequence of the Popoviciu upper bound. Consequently, samples near the agent's capability boundary -- where successes and failures are roughly balanced -- contribute disproportionately large policy gradients. As training progresses, this boundary continuously shifts, which gradually depletes the pool of informative samples in a static dataset. We propose RODS (Reward-driven Online Data Synthesis) to resolve this depletion. RODS closes the loop between RL training and data generation by repurposing the progress reward variance as a practical, zero-cost boundary detector that requires no extra inference beyond the rollouts already computed for training. It continuously identifies such boundary samples, synthesizes new multi-turn variants matching their structural complexity (e.g., API topology and dependency depth) via a skill-aligned resampling pipeline, and manages a dynamic replay buffer that co-evolves with the policy. Starting from 400 human seeds and maintaining an active training pool of ~800 samples, RODS achieves comparable performance to a 17K-sample offline pipeline while requiring roughly 20x fewer trajectories, and improves over fixed-data RL and environment augmentation in our controlled setting.

inclusionAI inclusionAI
·
Jun 16

Separate Before You Compress: The WWHO Tokenization Architecture

Current Large Language Models (LLMs) mostly use BPE (Byte Pair Encoding) based tokenizers, which are very effective for simple structured Latin scripts such as English. However, standard BPE tokenizers struggle to process complex Abugida scripts due to their structural complexity. The problem is that these tokenizers break complex conjuncts, which are multi-codepoint grapheme clusters, into meaningless sub-character units. This degrades the LLM's reasoning efficiency by forcing it to learn basic orthographic structures at inference time and raises inference costs, resulting in a significant "Token Tax" for the Global South. We propose a new three-layer architecture, the WWHO (Where-What-How Often), and an algorithm named SGPE (Syllable-aware Grapheme Pair Encoding) that separates the linguistic rules of the script from the statistical compression process while enabling seamless multilingual tokenization. Using Sinhala and Devanagari (Hindi/Sanskrit) as highly complex Abugida scripts, we trained WWHO on a cleaned 30-million-sentence dataset and evaluated on a 1,499,950-sentence test set. For Sinhala, SGPE achieves a Token to Word Ratio (TWR) of 1.274 with 4.83 characters per token, representing a 61.7 percent reduction in tokens compared to OpenAI's o200k base. For Hindi, it achieves a TWR of 1.181 (27.0 percent reduction vs o200k). On the mixed-script (Sinhala, Devanagari, and English) dataset, SGPE achieves an overall TWR of 1.240, representing token reductions of 36.7 percent, 39.6 percent, and 60.2 percent relative to o200k base, Llama 4 Scout, and DeepSeek V3, respectively. This effectively extends the usable context window by up to 4.38 times for these Abugida languages while ensuring a Linguistic Zero-Breakage Guarantee, which ensures that no valid syllable is ever split across multiple tokens.

  • 1 authors
·
Mar 25

OmniHandwritingOCR: A Diagnostic Benchmark for Evaluating Multimodal LLMs in Handwritten OCR Scenarios

Multimodal large language models (MLLMs) are increasingly used as OCR systems in document and knowledge-processing pipelines, but their ability to faithfully read real handwriting remains underexplored. Existing OCR benchmarks focus largely on printed text or clean single-line inputs, leaving limited coverage of realistic handwritten OCR scenarios such as multilingual handwriting, writer errors, and structurally complex mathematical expressions. We introduce OmniHandwritingOCR, a diagnostic benchmark for evaluating MLLMs and OCR systems on handwritten OCR. It covers handwritten text recognition and handwritten mathematical expression recognition across six subtasks and twelve subsets, totaling 77.57K labeled images from public datasets and newly collected student writings. A key component is a difficulty-stratified multi-line formula corpus designed to test robustness under increasing structural complexity. We evaluate thirteen open- and closed-source systems with five complementary metrics under a unified protocol. Results show that current systems remain far from faithful transcription: performance drops sharply on complex multi-line formulas, model rankings vary across language and formula settings, and several generative models hallucinate plausible but visually unsupported corrections. OmniHandwritingOCR provides a challenging testbed for diagnosing language, content, structural, and visual-grounding failure modes of multimodal models in handwritten OCR scenarios.

  • 3 authors
·
Aug 18

TRACE-Bench: Decomposing and Diagnosing Multi-Reference Image Generation

Despite recent advances in unified multimodal models for multi-reference image generation, existing benchmarks remain organized around predefined task types (e.g., "subject composition"), which are ill-suited to this combinatorial setting and lead to fragmented coverage, uncontrolled complexity, and little diagnostic value. Recognizing that diverse multi-reference tasks share a common set of atomic operations, we adopt a capability-oriented perspective and formalize four operators: Anchor (f), Disentangle (g), Apply (oplus), and Compose (C). Any multi-reference prompt can then be represented as a compositional formula over these operators, whose structural complexity is quantified by the number of operator slots. Building on this formulation, we construct TRACE-Bench, comprising approximately 1,600 evaluation cases across slot counts 1--8, built from 631 formula templates and around 4,000 reference images spanning diverse artistic styles and real-world subjects. The formula structure directly drives an operator-aligned evaluation protocol for per-capability scoring and a diagnostic tree analysis for recursive failure localization. Evaluating 9 leading models reveals insights invisible to holistic scoring: the primary bottleneck lies in disentanglement (g) and attribute binding (oplus) rather than scene-level composition (C), with even the best model scoring only 0.74 on attribute fidelity. Project page: https://amuseum-whr.github.io/TraceBench

GeoFWI3D: Large-scale 3D Velocity Model Dataset for Deep Learning-assisted Seismic Imaging

We introduce GeoFWI3D, a large-scale open-source benchmark dataset of geologically plausible 3D subsurface models designed to accelerate deep learning (DL) assisted seismic imaging and full waveform inversion (FWI). FWI is a physics-driven, wave-equation-based optimization technique used in seismic imaging to estimate the subsurface properties. However, traditional FWI is highly non-linear, non-unique, and ill-posed. The iterative process often converges to local minima when the starting model is insufficiently accurate. Most importantly, 3D FWI is prohibitively expensive. With the advent of DL, a direct mapping between the shot gathers and subsurface properties can be established by training a network on realistic models. The primary bottleneck for such approaches is the lack of large-scale, realistic training datasets. GeoFWI3D addresses this gap with 10,000 geologically diverse velocity models at 96x96x96 resolution, spanning four structural complexity classes: pure stratigraphy, faulted networks, salt diapirism, and complex coupled fault-salt systems. Each model is accompanied by co-registered multi-modal labels including compressional velocity (Vp), zero-offset seismic reflectivity, relative geologic time (RGT), and semantic fault/salt masks. To facilitate systematic evaluation, we introduce benchmark tasks covering fault detection, joint salt body segmentation and chronostratigraphy prediction, FWI, wavefield and traveltime surrogates using neural operators, and generative modeling with a 3D diffusion model. We present baseline results for each task to establish reference performance metrics for future users. The dataset is publicly available under Creative Commons Attribution 4.0 International.

  • 14 authors
·
Sep 30

RDesign: Hierarchical Data-efficient Representation Learning for Tertiary Structure-based RNA Design

While artificial intelligence has made remarkable strides in revealing the relationship between biological macromolecules' primary sequence and tertiary structure, designing RNA sequences based on specified tertiary structures remains challenging. Though existing approaches in protein design have thoroughly explored structure-to-sequence dependencies in proteins, RNA design still confronts difficulties due to structural complexity and data scarcity. Moreover, direct transplantation of protein design methodologies into RNA design fails to achieve satisfactory outcomes although sharing similar structural components. In this study, we aim to systematically construct a data-driven RNA design pipeline. We crafted a large, well-curated benchmark dataset and designed a comprehensive structural modeling approach to represent the complex RNA tertiary structure. More importantly, we proposed a hierarchical data-efficient representation learning framework that learns structural representations through contrastive learning at both cluster-level and sample-level to fully leverage the limited data. By constraining data representations within a limited hyperspherical space, the intrinsic relationships between data points could be explicitly imposed. Moreover, we incorporated extracted secondary structures with base pairs as prior knowledge to facilitate the RNA design process. Extensive experiments demonstrate the effectiveness of our proposed method, providing a reliable baseline for future RNA design tasks. The source code and benchmark dataset are available at https://github.com/A4Bio/RDesign.

  • 7 authors
·
Jan 25, 2023

Minimum Entropy Coupling with Bottleneck

This paper investigates a novel lossy compression framework operating under logarithmic loss, designed to handle situations where the reconstruction distribution diverges from the source distribution. This framework is especially relevant for applications that require joint compression and retrieval, and in scenarios involving distributional shifts due to processing. We show that the proposed formulation extends the classical minimum entropy coupling framework by integrating a bottleneck, allowing for a controlled degree of stochasticity in the coupling. We explore the decomposition of the Minimum Entropy Coupling with Bottleneck (MEC-B) into two distinct optimization problems: Entropy-Bounded Information Maximization (EBIM) for the encoder, and Minimum Entropy Coupling (MEC) for the decoder. Through extensive analysis, we provide a greedy algorithm for EBIM with guaranteed performance, and characterize the optimal solution near functional mappings, yielding significant theoretical insights into the structural complexity of this problem. Furthermore, we illustrate the practical application of MEC-B through experiments in Markov Coding Games (MCGs) under rate limits. These games simulate a communication scenario within a Markov Decision Process, where an agent must transmit a compressed message from a sender to a receiver through its actions. Our experiments highlight the trade-offs between MDP rewards and receiver accuracy across various compression rates, showcasing the efficacy of our method compared to conventional compression baseline.

  • 3 authors
·
Oct 28, 2024 2

Which Programming Language and What Features at Pre-training Stage Affect Downstream Logical Inference Performance?

Recent large language models (LLMs) have demonstrated remarkable generalization abilities in mathematics and logical reasoning tasks. Prior research indicates that LLMs pre-trained with programming language data exhibit high mathematical and reasoning abilities; however, this causal relationship has not been rigorously tested. Our research aims to verify which programming languages and features during pre-training affect logical inference performance. Specifically, we pre-trained decoder-based language models from scratch using datasets from ten programming languages (e.g., Python, C, Java) and three natural language datasets (Wikipedia, Fineweb, C4) under identical conditions. Thereafter, we evaluated the trained models in a few-shot in-context learning setting on logical reasoning tasks: FLD and bAbi, which do not require commonsense or world knowledge. The results demonstrate that nearly all models trained with programming languages consistently outperform those trained with natural languages, indicating that programming languages contain factors that elicit logic inference performance. In addition, we found that models trained with programming languages exhibit a better ability to follow instructions compared to those trained with natural languages. Further analysis reveals that the depth of Abstract Syntax Trees representing parsed results of programs also affects logical reasoning performance. These findings will offer insights into the essential elements of pre-training for acquiring the foundational abilities of LLMs.

  • 6 authors
·
Oct 9, 2024

SARD: A Large-Scale Synthetic Arabic OCR Dataset for Book-Style Text Recognition

Arabic Optical Character Recognition (OCR) is essential for converting vast amounts of Arabic print media into digital formats. However, training modern OCR models, especially powerful vision-language models, is hampered by the lack of large, diverse, and well-structured datasets that mimic real-world book layouts. Existing Arabic OCR datasets often focus on isolated words or lines or are limited in scale, typographic variety, or structural complexity found in books. To address this significant gap, we introduce SARD (Large-Scale Synthetic Arabic OCR Dataset). SARD is a massive, synthetically generated dataset specifically designed to simulate book-style documents. It comprises 843,622 document images containing 690 million words, rendered across ten distinct Arabic fonts to ensure broad typographic coverage. Unlike datasets derived from scanned documents, SARD is free from real-world noise and distortions, offering a clean and controlled environment for model training. Its synthetic nature provides unparalleled scalability and allows for precise control over layout and content variation. We detail the dataset's composition and generation process and provide benchmark results for several OCR models, including traditional and deep learning approaches, highlighting the challenges and opportunities presented by this dataset. SARD serves as a valuable resource for developing and evaluating robust OCR and vision-language models capable of processing diverse Arabic book-style texts.

  • 5 authors
·
May 30, 2025

ReviewGuard: Enhancing Deficient Peer Review Detection via LLM-Driven Data Augmentation

Peer review serves as the gatekeeper of science, yet the surge in submissions and widespread adoption of large language models (LLMs) in scholarly evaluation present unprecedented challenges. Recent work has focused on using LLMs to improve review efficiency or generate insightful review content. However, unchecked deficient reviews from both human experts and AI systems threaten to systematically undermine the peer review ecosystem and compromise academic integrity. To address this critical issue, we introduce ReviewGuard, an automated system for detecting and categorizing deficient reviews. ReviewGuard employs a comprehensive four-stage LLM-driven framework that: (1) collects ICLR and NeurIPS papers with their corresponding reviews from OpenReview; (2) annotates review types using GPT-4.1 with human validation; (3) addresses class imbalance and data scarcity through LLM-driven synthetic data augmentation, producing a final corpus of 6,634 papers, 24,657 real reviews, and 46,438 synthetic reviews; and (4) fine-tunes both encoder-based models and open source LLMs. We perform comprehensive feature analysis of the structure and quality of the review text. Compared to sufficient reviews, deficient reviews demonstrate lower rating scores, higher self-reported confidence, reduced structural complexity, and a higher proportion of negative sentiment. AI-generated text detection reveals that, since ChatGPT's emergence, AI-generated reviews have increased dramatically. In the evaluation of deficient review detection models, mixed training with synthetic and real review data provides substantial enhancements to recall and F1 scores on the binary task. This study presents the first LLM-driven system for detecting deficient peer reviews, providing evidence to inform AI governance in peer review while offering valuable insights into human-AI collaboration to maintain academic integrity.

  • 9 authors
·
Oct 18, 2025

RoboCerebra: A Large-scale Benchmark for Long-horizon Robotic Manipulation Evaluation

Recent advances in vision-language models (VLMs) have enabled instruction-conditioned robotic systems with improved generalization. However, most existing work focuses on reactive System 1 policies, underutilizing VLMs' strengths in semantic reasoning and long-horizon planning. These System 2 capabilities-characterized by deliberative, goal-directed thinking-remain under explored due to the limited temporal scale and structural complexity of current benchmarks. To address this gap, we introduce RoboCerebra, a benchmark for evaluating high-level reasoning in long-horizon robotic manipulation. RoboCerebra includes: (1) a large-scale simulation dataset with extended task horizons and diverse subtask sequences in household environments; (2) a hierarchical framework combining a high-level VLM planner with a low-level vision-language-action (VLA) controller; and (3) an evaluation protocol targeting planning, reflection, and memory through structured System 1-System 2 interaction. The dataset is constructed via a top-down pipeline, where GPT generates task instructions and decomposes them into subtask sequences. Human operators execute the subtasks in simulation, yielding high-quality trajectories with dynamic object variations. Compared to prior benchmarks, RoboCerebra features significantly longer action sequences and denser annotations. We further benchmark state-of-the-art VLMs as System 2 modules and analyze their performance across key cognitive dimensions, advancing the development of more capable and generalizable robotic planners.

  • 7 authors
·
Jun 7, 2025

Generalization of RLVR Using Causal Reasoning as a Testbed

Reinforcement learning with verifiable rewards (RLVR) has emerged as a promising paradigm for post-training large language models (LLMs) on complex reasoning tasks. Yet, the conditions under which RLVR yields robust generalization remain poorly understood. This paper provides an empirical study of RLVR generalization in the setting of probabilistic inference over causal graphical models. This setting offers two natural axes along which to examine generalization: (i) the level of the probabilistic query -- associational, interventional, or counterfactual -- and (ii) the structural complexity of the query, measured by the size of its relevant subgraph. We construct datasets of causal graphs and queries spanning these difficulty axes and fine-tune Qwen-2.5-Instruct models using RLVR or supervised fine-tuning (SFT). We vary both the model scale (3B-32B) and the query level included in training. We find that RLVR yields stronger within-level and across-level generalization than SFT, but only for specific combinations of model size and training query level. Further analysis shows that RLVR's effectiveness depends on the model's initial reasoning competence. With sufficient initial competence, RLVR improves an LLM's marginalization strategy and reduces errors in intermediate probability calculations, producing substantial accuracy gains, particularly on more complex queries. These findings show that RLVR can improve specific causal reasoning subskills, with its benefits emerging only when the model has sufficient initial competence.

  • 6 authors
·
Dec 23, 2025

Applications of Machine Learning in Polymer Materials: Property Prediction, Material Design, and Systematic Processes

This paper systematically reviews the research progress and application prospects of machine learning technologies in the field of polymer materials. Currently, machine learning methods are developing rapidly in polymer material research; although they have significantly accelerated material prediction and design, their complexity has also caused difficulties in understanding and application for researchers in traditional fields. In response to the above issues, this paper first analyzes the inherent challenges in the research and development of polymer materials, including structural complexity and the limitations of traditional trial-and-error methods. To address these problems, it focuses on introducing key basic technologies such as molecular descriptors and feature representation, data standardization and cleaning, and records a number of high-quality polymer databases. Subsequently, it elaborates on the key role of machine learning in polymer property prediction and material design, covering the specific applications of algorithms such as traditional machine learning, deep learning, and transfer learning; further, it deeply expounds on data-driven design strategies, such as reverse design, high-throughput virtual screening, and multi-objective optimization. The paper also systematically introduces the complete process of constructing high-reliability machine learning models and summarizes effective experimental verification, model evaluation, and optimization methods. Finally, it summarizes the current technical challenges in research, such as data quality and model generalization ability, and looks forward to future development trends including multi-scale modeling, physics-informed machine learning, standardized data sharing, and interpretable machine learning.

  • 1 authors
·
Oct 29, 2025

Restart-Free (Accelerated) Gradient Sliding Methods for Strongly Convex Composite Optimization

In this paper, we study a class of composite optimization problems whose objective function is given by the summation of a general smooth and nonsmooth component, together with a relatively simple nonsmooth term. While restart strategies are commonly employed in first-order methods to achieve optimal convergence under strong convexity, they introduce structural complexity and practical overhead, making algorithm design and nesting cumbersome. To address this, we propose a restart-free stochastic gradient sliding algorithm that eliminates the need for explicit restart phases when the simple nonsmooth component is strongly convex. Through a novel and carefully designed parameter selection strategy, we prove that the proposed algorithm achieves an ε-solution with only O(log(1ε)) gradient evaluations for the smooth component and O(1ε) stochastic subgradient evaluations for the nonsmooth component, matching the optimal complexity of existing multi-phase (restart-based) methods. Moreover, for the case where the nonsmooth component is structured, allowing the overall problem to be reformulated as a bilinear saddle-point problem, we develop a restart-free accelerated stochastic gradient sliding algorithm. We show that the resulting method requires only O(log(1ε)) gradient computations for the smooth component while preserving an overall iteration complexity of O(1{sqrtε}) for solving the corresponding saddle-point problems. Our work thus provides simpler, restart-f

  • 3 authors
·
Feb 3

Graph-RHO: Critical-path-aware Heterogeneous Graph Network for Long-Horizon Flexible Job-Shop Scheduling

Long-horizon Flexible Job-Shop Scheduling~(FJSP) presents a formidable combinatorial challenge due to complex, interdependent decisions spanning extended time horizons. While learning-based Rolling Horizon Optimization~(RHO) has emerged as a promising paradigm to accelerate solving by identifying and fixing invariant operations, its effectiveness is hindered by the structural complexity of FJSP. Existing methods often fail to capture intricate graph-structured dependencies and ignore the asymmetric costs of prediction errors, in which misclassifying critical-path operations is significantly more detrimental than misclassifying non-critical ones. Furthermore, dynamic shifts in predictive confidence during the rolling process make static pruning thresholds inadequate. To address these limitations, we propose Graph-RHO, a novel critical-path-aware graph-based RHO framework. First, we introduce a topology-aware heterogeneous graph network that encodes subproblems as operation-machine graphs with multi-relational edges, leveraging edge-feature-aware message passing to predict operation stability. Second, we incorporate a critical-path-aware mechanism that injects inductive biases during training to distinguish highly sensitive bottleneck operations from robust ones. Third, we devise an adaptive thresholding strategy that dynamically calibrates decision boundaries based on online uncertainty estimation to align model predictions with the solver's search space. Extensive experiments on standard benchmarks demonstrate that Graph-RHO establishes a new state of the art in solution quality and computational efficiency. Remarkably, it exhibits exceptional zero-shot generalization, reducing solve time by over 30\% on large-scale instances (2000 operations) while achieving superior solution quality. Our code is available https://github.com/IntelliSensing/Graph-RHO{here}.

  • 5 authors
·
Apr 10

Text2Score: Generating Sheet Music From Textual Prompts

Developing text-driven symbolic music generation models remains challenging due to the scarcity of aligned text-music datasets and the unreliability of automated captioning pipelines. While most efforts have focused on MIDI, sheet music representations are largely underexplored in text-driven generation. We present Text2Score, a two-stage framework comprising a planning stage and an execution stage for generating sheet music from natural language prompts. By deriving supervision signals directly from symbolic XML data, we propose an alternative training paradigm that bypasses noisy or scarce text-music pairs. In the planning stage, an LLM orchestrator translates a natural language prompt into a structured measure-wise plan defining musical attributes such as instruments, key, time signatures, harmony, etc. This plan is then consumed by a generative model in the execution stage to produce interleaved ABC notation conditioned on the plan's structural constraints. To assess output quality, we introduce an evaluation framework covering playability, readability, instrument utilization, structural complexity, and prompt adherence, validated by expert musicians. Text2Score consistently outperforms both a pure LLM-based agentic framework and three end-to-end baselines across objective and subjective dimensions. We open-source the dataset, code, evaluation set and LLM prompts used in this work; a demo is available on our project page (https://keshavbhandari.github.io/portfolio/text2score).

amaai-lab AMAAI Lab
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May 12

Evaluating Universal Machine Learning Force Fields Against Experimental Measurements

Universal machine learning force fields (UMLFFs) promise to revolutionize materials science by enabling rapid atomistic simulations across the periodic table. However, their evaluation has been limited to computational benchmarks that may not reflect real-world performance. Here, we present UniFFBench, a comprehensive framework for evaluating UMLFFs against experimental measurements of ~1,500 carefully curated mineral structures spanning diverse chemical environments, bonding types, structural complexity, and elastic properties. Our systematic evaluation of six state-of-the-art UMLFFs reveals a substantial reality gap: models achieving impressive performance on computational benchmarks often fail when confronted with experimental complexity. Even the best-performing models exhibit higher density prediction error than the threshold required for practical applications. Most strikingly, we observe disconnects between simulation stability and mechanical property accuracy, with prediction errors correlating with training data representation rather than the modeling method. These findings demonstrate that while current computational benchmarks provide valuable controlled comparisons, they may overestimate model reliability when extrapolated to experimentally complex chemical spaces. Altogether, UniFFBench establishes essential experimental validation standards and reveals systematic limitations that must be addressed to achieve truly universal force field capabilities.

  • 8 authors
·
Aug 6, 2025

InternSVG: Towards Unified SVG Tasks with Multimodal Large Language Models

General SVG modeling remains challenging due to fragmented datasets, limited transferability of methods across tasks, and the difficulty of handling structural complexity. In response, we leverage the strong transfer and generalization capabilities of multimodal large language models (MLLMs) to achieve unified modeling for SVG understanding, editing, and generation. We present the InternSVG family, an integrated data-benchmark-model suite. At its core is SAgoge, the largest and most comprehensive multimodal dataset for SVG tasks, encompassing both static graphics and dynamic animations. It covers icons, long-sequence illustrations, scientific diagrams, and dynamic animations, supporting tasks of varied difficulty levels and providing deeper hierarchies with richer attributes compared to previous datasets. Based on this resource, we introduce SArena, a companion benchmark with comprehensive task definitions and standardized evaluation that aligns with the domains and difficulty spectrum covered by SAgoge. Building on these foundations, we propose InternSVG, a unified MLLM for SVG understanding, editing, and generation with SVG-specific special tokens, subword-based embedding initialization, and a two-stage training strategy that progresses from short static SVGs to long-sequence illustrations and complex animations. This unified formulation induces positive transfer and improves overall performance. Experiments on SArena and prior benchmark confirm that InternSVG achieves substantial gains and consistently outperforms leading open and proprietary counterparts.

InternSVG InternSVG
·
Oct 13, 2025 2

Code2Doc: A Quality-First Curated Dataset for Code Documentation

The performance of automatic code documentation generation models depends critically on the quality of the training data used for supervision. However, most existing code documentation datasets are constructed through large scale scraping of public repositories with limited quality control. As a result, they often contain noisy documentation, extensive duplication, and increasing contamination from AI generated content. These issues weaken the supervision signal available to learning-based models and complicate evaluation. We introduce Code2Doc, a quality-first curated dataset for function-level code documentation generation. Code2Doc consists of 13,358 high-quality function-documentation pairs extracted from widely used open-source repositories spanning five programming languages: Python, Java, TypeScript, JavaScript, and C++. The dataset is constructed using a four-stage curation pipeline that enforces documentation completeness and clarity, filters functions based on structural and complexity criteria, removes exact and near-duplicate code, and identifies documentation likely to be AI generated. Starting from 52,069 extracted candidates, only 25.6% satisfy all quality constraints. We provide a detailed analysis of the resulting dataset, which achieves a mean documentation quality score of 6.93 out of 10. Overall, 86.9% of samples contain explicit type annotations, and only 2.9% are flagged as potentially AI generated. Baseline experiments show that fine-tuning a large language model on Code2Doc yields relative improvements of 29.47% in BLEU and 24.04% in ROUGE-L over zero shot performance, despite the modest dataset size. We release both the dataset and the full curation pipeline to support reproducible research on automatic code documentation generation.

  • 2 authors
·
Dec 21, 2025

On the Entropy in Last-Mile Logistics

Last-mile logistics (LML) is characterized by high fragmentation, yet existing research treats this as an exogenous constraint rather than a quantifiable and optimizable system property. This paper introduces a framework for measuring LML complexity using structural entropy, derived from Boltzmann's statistical mechanics. Unlike traditional KPIs such as distance or cost, structural entropy quantifies the cardinality of the configuration space, providing a diagnostic of inherent system disorder. We establish a formal duality with Shannon entropy, linking absolute complexity burden to distributional balance. We apply our entropy framework to 6,112 Amazon last-mile routes across five U.S. cities. Current operations exhibit persistently high normalized entropy, indicating near-maximal fragmentation. A stable non-linear scaling relationship between entropy and route distance validates the metric as a predictive indicator of operational difficulty. To evaluate spatial consolidation, we develop a system-wide entropy measure accounting for all movements by both carriers and customers. We establish a theoretical conservation principle: under idealized conditions, spatial consolidation merely redistributes entropy from carrier to customer. Both idealizing conditions are violated in practice, thereby increasing total system entropy. Our system-wide measure reveals that spatial consolidation reduces carrier entropy by up to 40% under aggressive adoption but increases total system entropy by activating customer collection trips, though trip chaining can diminish this effect. Temporal consolidation, by contrast, genuinely reduces entropy by decreasing delivery events without creating new movements. By formalizing fragmentation as a measurable structural property, this research provides a new lens for network design, consolidation policy, and evaluation last-mile system performance.

  • 2 authors
·
Feb 25

Critical Nodes Identification in Complex Networks: A Survey

Complex networks have become essential tools for understanding diverse phenomena in social systems, traffic systems, biomolecular systems, and financial systems. Identifying critical nodes is a central theme in contemporary research, serving as a vital bridge between theoretical foundations and practical applications. Nevertheless, the intrinsic complexity and structural heterogeneity characterizing real-world networks, with particular emphasis on dynamic and higher-order networks, present substantial obstacles to the development of universal frameworks for critical node identification. This paper provides a comprehensive review of critical node identification techniques, categorizing them into seven main classes: centrality, critical nodes deletion problem, influence maximization, network control, artificial intelligence, higher-order and dynamic methods. Our review bridges the gaps in existing surveys by systematically classifying methods based on their methodological foundations and practical implications, and by highlighting their strengths, limitations, and applicability across different network types. Our work enhances the understanding of critical node research by identifying key challenges, such as algorithmic universality, real-time evaluation in dynamic networks, analysis of higher-order structures, and computational efficiency in large-scale networks. The structured synthesis consolidates current progress and highlights open questions, particularly in modeling temporal dynamics, advancing efficient algorithms, integrating machine learning approaches, and developing scalable and interpretable metrics for complex systems.

  • 8 authors
·
Jul 8, 2025

AOT-POT: Adaptive Operator Transformation for Large-Scale PDE Pre-training

Pre-training neural operators on diverse partial differential equation (PDE) datasets has emerged as a promising direction for building general-purpose surrogate models in scientific machine learning. However, the inherent complexity and structural diversity of PDE solution operators make multi-PDE pre-training fundamentally challenging. Existing methods mainly address this by increasing model capacity, while leaving the target solution operators unchanged. Inspired by classical numerical analysis, we instead propose to transform complex and diverse solution operators into simpler, better-aligned forms that are easier to model jointly. Since the optimal transformation varies across PDE types, it must be adaptive and input-dependent, allowing a single neural operator to approximate an entire family of operators. We instantiate this idea as AOT-POT (adaptive operator-transformation for pre-training operator transformer), which expands hidden representations into multiple parallel streams, adaptively aggregates and redistributes them before and after each sub-layer, and mixes streams through Sinkhorn-projected doubly stochastic matrices for stable training. These mechanisms together reshape diverse solution operators into a unified form that can be effectively modeled by a single architecture. Empirically, AOT-POT achieves state-of-the-art performance on 12 PDE benchmarks with only 3\% additional parameters, reducing relative L2 error by up to 77.6\% (40.9\% on average). Fine-tuning AOT-POT further reduces L2 error by up to 92\% on in-domain PDEs and 89\% on out-of-domain PDEs (unseen types during pre-training), demonstrating that adaptive operator transformation is an effective and complementary direction for advancing PDE foundation models beyond simply scaling model capacity.

  • 8 authors
·
May 14

GTLR-GS: Geometry-Texture Aware LiDAR-Regularized 3D Gaussian Splatting for Realistic Scene Reconstruction

Recent advances in 3D Gaussian Splatting (3DGS) have enabled real-time, photorealistic scene reconstruction. However, conventional 3DGS frameworks typically rely on sparse point clouds derived from Structure-from-Motion (SfM), which inherently suffer from scale ambiguity, limited geometric consistency, and strong view dependency due to the lack of geometric priors. In this work, a LiDAR-centric 3D Gaussian Splatting framework is proposed that explicitly incorporates metric geometric priors into the entire Gaussian optimization process. Instead of treating LiDAR data as a passive initialization source, 3DGS optimization is reformulated as a geometry-conditioned allocation and refinement problem under a fixed representational budget. Specifically, this work introduces (i) a geometry-texture-aware allocation strategy that selectively assigns Gaussian primitives to regions with high structural or appearance complexity, (ii) a curvature-adaptive refinement mechanism that dynamically guides Gaussian splitting toward geometrically complex areas during training, and (iii) a confidence-aware metric depth regularization that anchors the reconstructed geometry to absolute scale using LiDAR measurements while maintaining optimization stability. Extensive experiments on the ScanNet++ dataset and a custom real-world dataset validate the proposed approach. The results demonstrate state-of-the-art performance in metric-scale reconstruction with high geometric fidelity.

  • 3 authors
·
Mar 23

Synthetic Sandbox for Training Machine Learning Engineering Agents

As large language model agents advance beyond software engineering (SWE) tasks toward machine learning engineering (MLE), verifying agent behavior becomes orders of magnitude more expensive: while SWE tasks can be verified via fast-executing unit tests, MLE verification requires running full ML pipelines -- data preprocessing, model training, and metric evaluation -- on large datasets at each rollout step, rendering trajectory-wise on-policy reinforcement learning (RL) prohibitively slow. Existing approaches retreat to supervised fine-tuning (SFT) or offline proxy rewards, sacrificing the exploration and generalization benefits of on-policy RL. We observe that sandbox data size is the primary source of this bottleneck. Based on this insight, we introduce SandMLE, a multi-agent framework that generates diverse, verifiable synthetic MLE environments from a small number of seed tasks, preserving the structural and technical complexity of real-world problems while constraining datasets to micro-scale (each task is paired with only 50-200 training samples). Through extensive experiments, we show that SandMLE reduces execution time by over 13 times, enabling large-scale, on-policy trajectory-wise RL for the first time in the MLE domain. On MLE-bench-lite, SandMLE yields significant gains over SFT baselines across Qwen3-8B, 14B, and 30B-A3B, with relative medal rate improvements ranging from 20.3% to 66.9%. Furthermore, the trained policy generalizes across unseen agentic scaffolds, achieving up to 32.4% better HumanRank score on MLE-Dojo.

facebook AI at Meta
·
Apr 5 2

MUG: Meta-path-aware Universal Heterogeneous Graph Pre-Training

Universal graph pre-training has emerged as a key paradigm in graph representation learning, offering a promising way to train encoders to learn transferable representations from unlabeled graphs and to effectively generalize across a wide range of downstream tasks. However, recent explorations in universal graph pre-training primarily focus on homogeneous graphs and it remains unexplored for heterogeneous graphs, which exhibit greater structural and semantic complexity. This heterogeneity makes it highly challenging to train a universal encoder for diverse heterogeneous graphs: (i) the diverse types with dataset-specific semantics hinder the construction of a unified representation space; (ii) the number and semantics of meta-paths vary across datasets, making encoding and aggregation patterns learned from one dataset difficult to apply to others. To address these challenges, we propose a novel Meta-path-aware Universal heterogeneous Graph pre-training (MUG) approach. Specifically, for challenge (i), MUG introduces a input unification module that integrates information from multiple node and relation types within each heterogeneous graph into a unified representation.This representation is then projected into a shared space by a dimension-aware encoder, enabling alignment across graphs with diverse schemas.Furthermore, for challenge (ii), MUG trains a shared encoder to capture consistent structural patterns across diverse meta-path views rather than relying on dataset-specific aggregation strategies, while a global objective encourages discriminability and reduces dataset-specific biases. Extensive experiments demonstrate the effectiveness of MUG on some real datasets.

  • 6 authors
·
Feb 26

Structural Text Segmentation of Legal Documents

The growing complexity of legal cases has lead to an increasing interest in legal information retrieval systems that can effectively satisfy user-specific information needs. However, such downstream systems typically require documents to be properly formatted and segmented, which is often done with relatively simple pre-processing steps, disregarding topical coherence of segments. Systems generally rely on representations of individual sentences or paragraphs, which may lack crucial context, or document-level representations, which are too long for meaningful search results. To address this issue, we propose a segmentation system that can predict topical coherence of sequential text segments spanning several paragraphs, effectively segmenting a document and providing a more balanced representation for downstream applications. We build our model on top of popular transformer networks and formulate structural text segmentation as topical change detection, by performing a series of independent classifications that allow for efficient fine-tuning on task-specific data. We crawl a novel dataset consisting of roughly 74,000 online Terms-of-Service documents, including hierarchical topic annotations, which we use for training. Results show that our proposed system significantly outperforms baselines, and adapts well to structural peculiarities of legal documents. We release both data and trained models to the research community for future work.https://github.com/dennlinger/TopicalChange

  • 4 authors
·
Dec 7, 2020

FunReason-MT Technical Report: Overcoming the Complexity Barrier in Multi-Turn Function Calling

Function calling (FC) empowers large language models (LLMs) and autonomous agents to interface with external tools, a critical capability for solving complex, real-world problems. As this ability becomes increasingly central to advanced AI systems, the need for high-quality, multi-turn training data to develop and refine it cannot be overstated. Existing data synthesis methods, such as random environment sampling or multi-agent role-playing, are not powerful enough to generate high-quality data in real-world environments. Practical challenges come in three folds: targeted model training, isolation of tool architecture, and multi-turn logical dependency. To address these structural deficiencies, we present FunReason-MT, a novel data synthesis framework for real-world multi-turn tool use. FunReason-MT resolves the complexity barrier in multi-turn FC data by employing 1) Environment-API Graph Interactions to gather varied high-quality trajectories, 2) Advanced Tool-Query Synthesis to simplify hard query construction, and 3) Guided Iterative Chain for sophisticated CoT generation. Evaluations on Berkeley Function-Calling Leaderboard (BFCLv3) demonstrate the power of our framework: a 4B model built upon FunReason-MT generated data achieves state-of-the-art performance among comparable-sized models, outperforming most close-source models. Further performance improvements on BFCLv4 confirm that FunReason-MT provides a reliable and robust source for agentic learning.

inclusionAI inclusionAI
·
Oct 28, 2025 1

Asymmetric Graph Error Control with Low Complexity in Causal Bandits

In this paper, the causal bandit problem is investigated, in which the objective is to select an optimal sequence of interventions on nodes in a causal graph. It is assumed that the graph is governed by linear structural equations; it is further assumed that both the causal topology and the distribution of interventions are unknown. By exploiting the causal relationships between the nodes whose signals contribute to the reward, interventions are optimized. First, based on the difference between the two types of graph identification errors (false positives and negatives), a causal graph learning method is proposed, which strongly reduces sample complexity relative to the prior art by learning sub-graphs. Under the assumption of Gaussian exogenous inputs and minimum-mean squared error weight estimation, a new uncertainty bound tailored to the causal bandit problem is derived. This uncertainty bound drives an upper confidence bound based intervention selection to optimize the reward. To cope with non-stationary bandits, a sub-graph change detection mechanism is proposed, with high sample efficiency. Numerical results compare the new methodology to existing schemes and show a substantial performance improvement in both stationary and non-stationary settings. Compared to existing approaches, the proposed scheme takes 67% fewer samples to learn the causal structure and achieves an average reward gain of 85%.

  • 3 authors
·
Aug 20, 2024

Complexity in Complexity: Understanding Visual Complexity Through Structure, Color, and Surprise

Understanding how humans perceive visual complexity is a key area of study in visual cognition. Previous approaches to modeling visual complexity assessments have often resulted in intricate, difficult-to-interpret algorithms that employ numerous features or sophisticated deep learning architectures. While these complex models achieve high performance on specific datasets, they often sacrifice interpretability, making it challenging to understand the factors driving human perception of complexity. Recently (Shen, et al. 2024) proposed an interpretable segmentation-based model that accurately predicted complexity across various datasets, supporting the idea that complexity can be explained simply. In this work, we investigate the failure of their model to capture structural, color and surprisal contributions to complexity. To this end, we propose Multi-Scale Sobel Gradient (MSG) which measures spatial intensity variations, Multi-Scale Unique Color (MUC) which quantifies colorfulness across multiple scales, and surprise scores generated using a Large Language Model. We test our features on existing benchmarks and a novel dataset (Surprising Visual Genome) containing surprising images from Visual Genome. Our experiments demonstrate that modeling complexity accurately is not as simple as previously thought, requiring additional perceptual and semantic factors to address dataset biases. Our model improves predictive performance while maintaining interpretability, offering deeper insights into how visual complexity is perceived and assessed. Our code, analysis and data are available at https://github.com/Complexity-Project/Complexity-in-Complexity.

  • 4 authors
·
Jan 27, 2025

Quantum complexity resource in Gaussian boson sampling: Core structure of the semidefinite program

We present a rigorous analysis of the algebraic and geometric structure of the quantum complexity resource of a system of bosonic modes in Gaussian boson sampling. This resource underlies the quantum advantage of the system: its photon-counting statistics require the evaluation of a hafnian of the resource covariance matrix, and that computation is #P-hard. The resource covariance matrix is the solution of a semidefinite program that extracts the minimum-trace physical quantum part of the total covariance matrix; the complementary part is positive semidefinite and can therefore be simulated classically. Earlier work characterized this resource only through the trace of the quantum part, equal to its photon number. We characterize the optimizer itself, as a quantum state and as a geometric object, beyond the scalar given by its trace. We prove that it is a unique pure Gaussian state and construct an explicit oracle map, obeying an algebraic Riccati identity, that reconstructs the resource. We prove that the full problem compresses exactly onto the active symplectic sector that the dual program support generates. The passive-diagonalizable states are solved in closed form, the first explicit solvable class, and the whole program is shown to be equivalent to a minimization over the symplectic group, that is, over the Siegel upper half-space. Together these results establish that the program determines a canonical localized pure Gaussian component of the resource, and they provide the structural foundation for its detailed analysis.

  • 2 authors
·
Jun 28

Structural Prognostic Event Modeling for Multimodal Cancer Survival Analysis

The integration of histology images and gene profiles has shown great promise for improving survival prediction in cancer. However, current approaches often struggle to model intra- and inter-modal interactions efficiently and effectively due to the high dimensionality and complexity of the inputs. A major challenge is capturing critical prognostic events that, though few, underlie the complexity of the observed inputs and largely determine patient outcomes. These events, manifested as high-level structural signals such as spatial histologic patterns or pathway co-activations, are typically sparse, patient-specific, and unannotated, making them inherently difficult to uncover. To address this, we propose SlotSPE, a slot-based framework for structural prognostic event modeling. Specifically, inspired by the principle of factorial coding, we compress each patient's multimodal inputs into compact, modality-specific sets of mutually distinctive slots using slot attention. By leveraging these slot representations as encodings for prognostic events, our framework enables both efficient and effective modeling of complex intra- and inter-modal interactions, while also facilitating seamless incorporation of biological priors that enhance prognostic relevance. Extensive experiments on ten cancer benchmarks show that SlotSPE outperforms existing methods in 8 out of 10 cohorts, achieving an overall improvement of 2.9%. It remains robust under missing genomic data and delivers markedly improved interpretability through structured event decomposition.

  • 5 authors
·
Apr 30

Learning Enhanced Structural Representations with Block-Based Uncertainties for Ocean Floor Mapping

Accurate ocean modeling and coastal hazard prediction depend on high-resolution bathymetric data; yet, current worldwide datasets are too coarse for exact numerical simulations. While recent deep learning advances have improved earth observation data resolution, existing methods struggle with the unique challenges of producing detailed ocean floor maps, especially in maintaining physical structure consistency and quantifying uncertainties. This work presents a novel uncertainty-aware mechanism using spatial blocks to efficiently capture local bathymetric complexity based on block-based conformal prediction. Using the Vector Quantized Variational Autoencoder (VQ-VAE) architecture, the integration of this uncertainty quantification framework yields spatially adaptive confidence estimates while preserving topographical features via discrete latent representations. With smaller uncertainty widths in well-characterized areas and appropriately larger bounds in areas of complex seafloor structures, the block-based design adapts uncertainty estimates to local bathymetric complexity. Compared to conventional techniques, experimental results over several ocean regions show notable increases in both reconstruction quality and uncertainty estimation reliability. This framework increases the reliability of bathymetric reconstructions by preserving structural integrity while offering spatially adaptive uncertainty estimates, so opening the path for more solid climate modeling and coastal hazard assessment.

  • 1 authors
·
Apr 19, 2025

GSSF: Generalized Structural Sparse Function for Deep Cross-modal Metric Learning

Cross-modal metric learning is a prominent research topic that bridges the semantic heterogeneity between vision and language. Existing methods frequently utilize simple cosine or complex distance metrics to transform the pairwise features into a similarity score, which suffers from an inadequate or inefficient capability for distance measurements. Consequently, we propose a Generalized Structural Sparse Function to dynamically capture thorough and powerful relationships across modalities for pair-wise similarity learning while remaining concise but efficient. Specifically, the distance metric delicately encapsulates two formats of diagonal and block-diagonal terms, automatically distinguishing and highlighting the cross-channel relevancy and dependency inside a structured and organized topology. Hence, it thereby empowers itself to adapt to the optimal matching patterns between the paired features and reaches a sweet spot between model complexity and capability. Extensive experiments on cross-modal and two extra uni-modal retrieval tasks (image-text retrieval, person re-identification, fine-grained image retrieval) have validated its superiority and flexibility over various popular retrieval frameworks. More importantly, we further discover that it can be seamlessly incorporated into multiple application scenarios, and demonstrates promising prospects from Attention Mechanism to Knowledge Distillation in a plug-and-play manner. Our code is publicly available at: https://github.com/Paranioar/GSSF.

  • 6 authors
·
Oct 19, 2024

Learning Internal Biological Neuron Parameters and Complexity-Based Encoding for Improved Spiking Neural Networks Performance

This study introduces a novel approach by replacing the traditional perceptron neuron model with a biologically inspired probabilistic meta neuron, where the internal neuron parameters are jointly learned, leading to improved classification accuracy of spiking neural networks (SNNs). To validate this innovation, we implement and compare two SNN architectures: one based on standard leaky integrate-and-fire (LIF) neurons and another utilizing the proposed probabilistic meta neuron model. As a second key contribution, we present a new biologically inspired classification framework that uniquely integrates SNNs with Lempel-Ziv complexity (LZC) a measure closely related to entropy rate. By combining the temporal precision and biological plausibility of SNNs with the capacity of LZC to capture structural regularity, the proposed approach enables efficient and interpretable classification of spatiotemporal neural data, an aspect not addressed in existing works. We consider learning algorithms such as backpropagation, spike-timing-dependent plasticity (STDP), and the Tempotron learning rule. To explore neural dynamics, we use Poisson processes to model neuronal spike trains, a well-established method for simulating the stochastic firing behavior of biological neurons. Our results reveal that depending on the training method, the classifier's efficiency can improve by up to 11.00%, highlighting the advantage of learning additional neuron parameters beyond the traditional focus on weighted inputs alone.

  • 3 authors
·
Aug 8, 2025

StoSignSGD: Unbiased Structural Stochasticity Fixes SignSGD for Training Large Language Models

Sign-based optimization algorithms, such as SignSGD, have garnered significant attention for their remarkable performance in distributed learning and training large foundation models. Despite their empirical superiority, SignSGD is known to diverge on non-smooth objectives, which are ubiquitous in modern machine learning due to ReLUs, max-pools, and mixture-of-experts. To overcome this fundamental limitation, we propose StoSignSGD, an algorithm that injects structural stochasticity into the sign operator while maintaining an unbiased update step. In the regime of (online) convex optimization, our theoretical analysis shows that StoSignSGD rigorously resolves the non-convergence issues of SignSGD, achieving a sharp convergence rate matching the lower bound. For the more challenging non-convex non-smooth optimization, we introduce generalized stationary measures that encompass prior definitions, proving that StoSignSGD improves upon the best-known complexity bounds by dimensional factors. Empirically, StoSignSGD exhibits robust stability and superior efficiency across diverse large language model (LLM) training regimes. Notably, in low-precision FP8 pretraining -- a setting where AdamW fails catastrophically -- StoSignSGD remains highly stable and yields a remarkable 1.44times to 2.14times speedup relative to established baselines. Furthermore, when fine-tuning 7B LLMs on mathematical reasoning tasks, StoSignSGD delivers substantial performance gains over both AdamW and SignSGD. Finally, to dissect the mechanisms driving its success, we develop a sign conversion framework capable of transforming any general optimizer into its unbiased, sign-based counterpart. Utilizing this framework, we deconstruct the core components of StoSignSGD and present a comprehensive ablation study to empirically validate our algorithmic design choices.

  • 4 authors
·
Apr 15

An error indicator-based adaptive reduced order model for nonlinear structural mechanics -- application to high-pressure turbine blades

The industrial application motivating this work is the fatigue computation of aircraft engines' high-pressure turbine blades. The material model involves nonlinear elastoviscoplastic behavior laws, for which the parameters depend on the temperature. For this application, the temperature loading is not accurately known and can reach values relatively close to the creep temperature: important nonlinear effects occur and the solution strongly depends on the used thermal loading. We consider a nonlinear reduced order model able to compute, in the exploitation phase, the behavior of the blade for a new temperature field loading. The sensitivity of the solution to the temperature makes {the classical unenriched proper orthogonal decomposition method} fail. In this work, we propose a new error indicator, quantifying the error made by the reduced order model in computational complexity independent of the size of the high-fidelity reference model. In our framework, when the {error indicator} becomes larger than a given tolerance, the reduced order model is updated using one time step solution of the high-fidelity reference model. The approach is illustrated on a series of academic test cases and applied on a setting of industrial complexity involving 5 million degrees of freedom, where the whole procedure is computed in parallel with distributed memory.

  • 2 authors
·
Apr 19, 2019

Routing Ceilings Are Domain-Independent: Structural Prior Injection in Code Security Vulnerability Detection

Large language models (LLMs) exhibit a well-documented gap between latent capability and consistent activation: the router hypothesis posits that models possess the knowledge to solve a task but lack reliable internal routing to activate it. Prior work in formal mathematical reasoning (SAIR, Cázares 2026) reports that structural priors (cheatsheets) raise in-distribution performance dramatically, yet collapse below the zero-shot baseline out-of-distribution (OOD) -- and that iterative recalibration amplifies rather than corrects the collapse. We test whether this phenomenon is cross-domain by reproducing the SAIR design in source-code security vulnerability detection, evaluating three LLMs (GPT-OSS-120B, Llama-3.3-70B, Gemma-4-31B) across three vulnerability categories (CWE-798, CWE-284, and the non-CWE N+1 anti-pattern) spanning syntactic, contextual, and semantic complexity, then transferring cheatsheet-augmented prompts to real-world CVE data from VUDENC (CWE-89, CWE-22). Our findings replicate and extend SAIR: (F1) structural priors lift semantic-vulnerability recall from 20.0% to 100.0% across all models; (F2) zero-shot performance degrades along a semantic complexity gradient; (F3) the same cheatsheets that saturate synthetic performance amplify distribution-shift collapse on real CVE data (CWE-89: 100% synthetic F1 to 48.9% on VUDENC, -51.1pp); (F5) iterative recalibration produces a v2 cheatsheet that performs worse than v1 on real data, mirroring SAIR's AN45c-vs-AN38 finding. These results provide evidence that the cross-distribution trade-off surface documented in SAIR generalises to code security, and that the router hypothesis is cross-domain. We argue the structural nature of the collapse motivates distribution-aware training over prompt calibration. Code and evaluation scripts: https://github.com/bytepro-ai/bitcoder-v2-research

  • 1 authors
·
Jul 15

Accelerating Scientific Discovery with Generative Knowledge Extraction, Graph-Based Representation, and Multimodal Intelligent Graph Reasoning

Leveraging generative Artificial Intelligence (AI), we have transformed a dataset comprising 1,000 scientific papers into an ontological knowledge graph. Through an in-depth structural analysis, we have calculated node degrees, identified communities and connectivities, and evaluated clustering coefficients and betweenness centrality of pivotal nodes, uncovering fascinating knowledge architectures. The graph has an inherently scale-free nature, is highly connected, and can be used for graph reasoning by taking advantage of transitive and isomorphic properties that reveal unprecedented interdisciplinary relationships that can be used to answer queries, identify gaps in knowledge, propose never-before-seen material designs, and predict material behaviors. We compute deep node embeddings for combinatorial node similarity ranking for use in a path sampling strategy links dissimilar concepts that have previously not been related. One comparison revealed structural parallels between biological materials and Beethoven's 9th Symphony, highlighting shared patterns of complexity through isomorphic mapping. In another example, the algorithm proposed a hierarchical mycelium-based composite based on integrating path sampling with principles extracted from Kandinsky's 'Composition VII' painting. The resulting material integrates an innovative set of concepts that include a balance of chaos/order, adjustable porosity, mechanical strength, and complex patterned chemical functionalization. We uncover other isomorphisms across science, technology and art, revealing a nuanced ontology of immanence that reveal a context-dependent heterarchical interplay of constituents. Graph-based generative AI achieves a far higher degree of novelty, explorative capacity, and technical detail, than conventional approaches and establishes a widely useful framework for innovation by revealing hidden connections.

  • 1 authors
·
Mar 18, 2024

Recipe for a General, Powerful, Scalable Graph Transformer

We propose a recipe on how to build a general, powerful, scalable (GPS) graph Transformer with linear complexity and state-of-the-art results on a diverse set of benchmarks. Graph Transformers (GTs) have gained popularity in the field of graph representation learning with a variety of recent publications but they lack a common foundation about what constitutes a good positional or structural encoding, and what differentiates them. In this paper, we summarize the different types of encodings with a clearer definition and categorize them as being local, global or relative. The prior GTs are constrained to small graphs with a few hundred nodes, here we propose the first architecture with a complexity linear in the number of nodes and edges O(N+E) by decoupling the local real-edge aggregation from the fully-connected Transformer. We argue that this decoupling does not negatively affect the expressivity, with our architecture being a universal function approximator on graphs. Our GPS recipe consists of choosing 3 main ingredients: (i) positional/structural encoding, (ii) local message-passing mechanism, and (iii) global attention mechanism. We provide a modular framework GraphGPS that supports multiple types of encodings and that provides efficiency and scalability both in small and large graphs. We test our architecture on 16 benchmarks and show highly competitive results in all of them, show-casing the empirical benefits gained by the modularity and the combination of different strategies.

  • 6 authors
·
May 24, 2022

Using Vision Language Foundation Models to Generate Plant Simulation Configurations via In-Context Learning

This paper introduces a synthetic benchmark to evaluate the performance of vision language models (VLMs) in generating plant simulation configurations for digital twins. While functional-structural plant models (FSPMs) are useful tools for simulating biophysical processes in agricultural environments, their high complexity and low throughput create bottlenecks for deployment at scale. We propose a novel approach that leverages state-of-the-art open-source VLMs -- Gemma 3 and Qwen3-VL -- to directly generate simulation parameters in JSON format from drone-based remote sensing images. Using a synthetic cowpea plot dataset generated via the Helios 3D procedural plant generation library, we tested five in-context learning methods and evaluated the models across three categories: JSON integrity, geometric evaluations, and biophysical evaluations. Our results show that while VLMs can interpret structural metadata and estimate parameters like plant count and sun azimuth, they often exhibit performance degradation due to contextual bias or rely on dataset means when visual cues are insufficient. Validation on a real-world drone orthophoto dataset and an ablation study using a blind baseline further characterize the models' reasoning capabilities versus their reliance on contextual priors. To the best of our knowledge, this is the first study to utilize VLMs to generate structural JSON configurations for plant simulations, providing a scalable framework for reconstruction 3D plots for digital twin in agriculture.

  • 7 authors
·
Mar 9

OpenAaaS: An Open Agent-as-a-Service Framework for Distributed Materials-Informatics Research

The Materials Genome Initiative catalyzed the proliferation of centralized platforms--SaaS, PaaS, and IaaS--that aggregate computational and experimental resources for accelerated materials discovery. In parallel, breakthroughs in large language models (LLMs) and autonomous agents have created powerful new reasoning capabilities for scientific research. Yet a critical "last mile" problem remains: while we possess world-class models and vast repositories of materials data, we lack the organizational infrastructure to compose these capabilities securely across institutional boundaries. The development of structural and functional materials for harsh service environments--high-temperature alloys, radiation resistant steels, corrosion-resistant coatings--remains characterized by long-term iteration, mechanistic complexity, and high domain expertise--demands that exceed both monolithic agent systems and traditional centralized platforms. To address this gap we propose OpenAaaS, an open-source hierarchical and distributed Agent-as-a-Service framework that enables organized multi-agent collaboration for intelligent materials design. OpenAaaS is built on a single foundational principle: code flows, data stays still. A Master Agent plans and decomposes complex research tasks without requiring direct access to subordinate agents' managed data and computational resources. Sub-agents, deployed as near-data execution nodes, retain full sovereignty over local datasets, proprietary algorithms, and specialized hardware. This architecture guarantees that raw data never leaves its domain of origin while enabling cross-scale, cross-domain secure integration of previously isolated materials intelligence silos. We validate the framework through two representative case studies: (i) AlphaAgent, an evidence-grounded materials literature analysis executor that achieves 4.66/5.0 on deep analytical questions against single-pass RAG baselines; and (ii) an ultra-large-scale hexa-high-entropy alloy descriptor database service that demonstrates secure near-data execution and domain-specific scientific workflows under strict data-sovereignty constraints. OpenAaaS establishes a principled pathway toward "organized research" via agent collectives, offering a scalable foundation for next-generation materials intelligent design platforms. All source code is available at https://github.com/Wolido/OpenAaaS.

  • 8 authors
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May 12

shapiq: Shapley Interactions for Machine Learning

Originally rooted in game theory, the Shapley Value (SV) has recently become an important tool in machine learning research. Perhaps most notably, it is used for feature attribution and data valuation in explainable artificial intelligence. Shapley Interactions (SIs) naturally extend the SV and address its limitations by assigning joint contributions to groups of entities, which enhance understanding of black box machine learning models. Due to the exponential complexity of computing SVs and SIs, various methods have been proposed that exploit structural assumptions or yield probabilistic estimates given limited resources. In this work, we introduce shapiq, an open-source Python package that unifies state-of-the-art algorithms to efficiently compute SVs and any-order SIs in an application-agnostic framework. Moreover, it includes a benchmarking suite containing 11 machine learning applications of SIs with pre-computed games and ground-truth values to systematically assess computational performance across domains. For practitioners, shapiq is able to explain and visualize any-order feature interactions in predictions of models, including vision transformers, language models, as well as XGBoost and LightGBM with TreeSHAP-IQ. With shapiq, we extend shap beyond feature attributions and consolidate the application of SVs and SIs in machine learning that facilitates future research. The source code and documentation are available at https://github.com/mmschlk/shapiq.

  • 6 authors
·
Oct 1, 2024

What Does the Rank Buy? A Spectral and Distributional Analysis of Low-Rank Adaptation

The rank r in LoRA is widely treated as a capacity control: a smaller rank is assumed to yield a simpler model that generalizes better. We show that, under hard per-factor norm budgets---the idealization of the weight decay and norm control used in practice---this intuition breaks down. The reason is structural: under such budgets, the updates LoRA can reach are exactly the matrices of rank at most r inside a nuclear-norm ball, and every complexity and displacement functional we analyze is maximized over this set by a rank-one update---so the rank cap never binds. The consequences follow directly. The linear-readout model class we study is identical for every r ge 1, its Rademacher complexity carries no dependence on r, and the distance the adaptation can move the source distribution obeys a rank-independent upper bound that we show is sharp. If rank does not control capacity, where does it act? We identify two places. Statistically, replacing the per-factor budgets with a joint budget on the product restores a data-dependent, rank-sensitive complexity bound---though the gain appears only for well-spread feature distributions, and the worst case remains rank-free. Spectrally, rank sets the price of adaptation: canceling the leading singular directions of the pretrained weight requires both sufficient rank and sufficient budget. We bound the smallest rank achieving a desired source--target alignment, with upper and lower bounds that match under two-sided spectral decay. Together, these results recast rank as governing which updates are reachable and what cancellation costs---not how much capacity the model has.

  • 1 authors
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Sep 24

CORE: Benchmarking LLMs Code Reasoning Capabilities through Static Analysis Tasks

Large language models (LLMs) have been widely adopted across diverse software engineering domains, such as code generation, program repair, and vulnerability detection. These applications require understanding beyond surface-level code patterns: value propagation, control flow, and interdependence between program elements. However, existing benchmarks primarily evaluate end-to-end outcomes, such as whether code is correctly repaired or generated, leaving the models ability for program semantic reasoning underexplored. This work presents CoRe, a high-quality, human-verified benchmark designed to evaluate LLMs on fundamental static analysis tasks. CoRe includes 12,553 task instances spanning data dependency, control dependency, and information flow across programs written in C/C++, Java, and Python. To ensure semantic diversity and reasoning complexity, we propose a semantics-aware diverse sampling strategy that selects targets and task instances based on structural coverage and dependency depth. We evaluate 10 mainstream LLMs and show that, while they perform well at identifying dependencies, models still struggle with tasks that require deeper semantic understanding and multi-step reasoning. We further conduct qualitative analyses to uncover key challenges, such as complex control structures and backward dependency patterns, offering insights into improving LLMs code reasoning capabilities.

  • 7 authors
·
Jul 2, 2025 1

MathSmith: Towards Extremely Hard Mathematical Reasoning by Forging Synthetic Problems with a Reinforced Policy

Large language models have achieved substantial progress in mathematical reasoning, yet their advancement is limited by the scarcity of high-quality, high-difficulty training data. Existing synthesis methods largely rely on transforming human-written templates, limiting both diversity and scalability. We propose MathSmith, a novel framework for synthesizing challenging mathematical problems to enhance LLM reasoning. Rather than modifying existing problems, MathSmith constructs new ones from scratch by randomly sampling concept-explanation pairs from PlanetMath, ensuring data independence and avoiding contamination. To increase difficulty, we design nine predefined strategies as soft constraints during rationales. We further adopts reinforcement learning to jointly optimize structural validity, reasoning complexity, and answer consistency. The length of the reasoning trace generated under autoregressive prompting is used to reflect cognitive complexity, encouraging the creation of more demanding problems aligned with long-chain-of-thought reasoning. Experiments across five benchmarks, categorized as easy & medium (GSM8K, MATH-500) and hard (AIME2024, AIME2025, OlympiadBench), show that MathSmith consistently outperforms existing baselines under both short and long CoT settings. Additionally, a weakness-focused variant generation module enables targeted improvement on specific concepts. Overall, MathSmith exhibits strong scalability, generalization, and transferability, highlighting the promise of high-difficulty synthetic data in advancing LLM reasoning capabilities.

  • 6 authors
·
Aug 7, 2025

ChronoSpike: An Adaptive Spiking Graph Neural Network for Dynamic Graphs

Dynamic graph representation learning requires capturing both structural relationships and temporal evolution, yet existing approaches face a fundamental trade-off: attention-based methods achieve expressiveness at O(T^2) complexity, while recurrent architectures suffer from gradient pathologies and dense state storage. Spiking neural networks offer event-driven efficiency but remain limited by sequential propagation, binary information loss, and local aggregation that misses global context. We propose ChronoSpike, an adaptive spiking graph neural network that integrates learnable LIF neurons with per-channel membrane dynamics, multi-head attentive spatial aggregation on continuous features, and a lightweight Transformer temporal encoder, enabling both fine-grained local modeling and long-range dependency capture with linear memory complexity O(T cdot d). On three large-scale benchmarks, ChronoSpike outperforms twelve state-of-the-art baselines by 2.0% Macro-F1 and 2.4% Micro-F1 while achieving 3-10times faster training than recurrent methods with a constant 105K-parameter budget independent of graph size. We provide theoretical guarantees for membrane potential boundedness, gradient flow stability under contraction factor ρ< 1, and BIBO stability; interpretability analyses reveal heterogeneous temporal receptive fields and a learned primacy effect with 83-88% sparsity.

The Dog the Cat Chased Stumped the Model: Measuring When Language Models Abandon Structure for Shortcuts

When language models correctly parse "The cat that the dog chased meowed," are they analyzing syntax or simply familiar with dogs chasing cats? Despite extensive benchmarking, we lack methods to distinguish structural understanding from semantic pattern matching. We introduce CenterBench, a dataset of 9,720 comprehension questions on center-embedded sentences (like "The cat [that the dog chased] meowed") where relative clauses nest recursively, creating processing demands from simple to deeply nested structures. Each sentence has a syntactically identical but semantically implausible counterpart (e.g., mailmen prescribe medicine, doctors deliver mail) and six comprehension questions testing surface understanding, syntactic dependencies, and causal reasoning. Testing six models reveals that performance gaps between plausible and implausible sentences widen systematically with complexity, with models showing median gaps up to 26.8 percentage points, quantifying when they abandon structural analysis for semantic associations. Notably, semantic plausibility harms performance on questions about resulting actions, where following causal relationships matters more than semantic coherence. Reasoning models improve accuracy but their traces show semantic shortcuts, overthinking, and answer refusal. Unlike models whose plausibility advantage systematically widens with complexity, humans shows variable semantic effects. CenterBench provides the first framework to identify when models shift from structural analysis to pattern matching.

  • 3 authors
·
Oct 23, 2025

When is Realizability Sufficient for Off-Policy Reinforcement Learning?

Model-free algorithms for reinforcement learning typically require a condition called Bellman completeness in order to successfully operate off-policy with function approximation, unless additional conditions are met. However, Bellman completeness is a requirement that is much stronger than realizability and that is deemed to be too strong to hold in practice. In this work, we relax this structural assumption and analyze the statistical complexity of off-policy reinforcement learning when only realizability holds for the prescribed function class. We establish finite-sample guarantees for off-policy reinforcement learning that are free of the approximation error term known as inherent Bellman error, and that depend on the interplay of three factors. The first two are well known: they are the metric entropy of the function class and the concentrability coefficient that represents the cost of learning off-policy. The third factor is new, and it measures the violation of Bellman completeness, namely the mis-alignment between the chosen function class and its image through the Bellman operator. In essence, these error bounds establish that off-policy reinforcement learning remains statistically viable even in absence of Bellman completeness, and characterize the intermediate situation between the favorable Bellman complete setting and the worst-case scenario where exponential lower bounds are in force. Our analysis directly applies to the solution found by temporal difference algorithms when they converge.

  • 1 authors
·
Nov 9, 2022

Channel Estimation for Quantized Systems based on Conditionally Gaussian Latent Models

This work introduces a novel class of channel estimators tailored for coarse quantization systems. The proposed estimators are founded on conditionally Gaussian latent generative models, specifically Gaussian mixture models (GMMs), mixture of factor analyzers (MFAs), and variational autoencoders (VAEs). These models effectively learn the unknown channel distribution inherent in radio propagation scenarios, providing valuable prior information. Conditioning on the latent variable of these generative models yields a locally Gaussian channel distribution, thus enabling the application of the well-known Bussgang decomposition. By exploiting the resulting conditional Bussgang decomposition, we derive parameterized linear minimum mean square error (MMSE) estimators for the considered generative latent variable models. In this context, we explore leveraging model-based structural features to reduce memory and complexity overhead associated with the proposed estimators. Furthermore, we devise necessary training adaptations, enabling direct learning of the generative models from quantized pilot observations without requiring ground-truth channel samples during the training phase. Through extensive simulations, we demonstrate the superiority of our introduced estimators over existing state-of-the-art methods for coarsely quantized systems, as evidenced by significant improvements in mean square error (MSE) and achievable rate metrics.

  • 4 authors
·
Dec 17, 2023

Vision-Language-Action in Robotics: A Survey of Datasets, Benchmarks, and Data Engines

Despite remarkable progress in Vision--Language--Action (VLA) models, a central bottleneck remains underexamined: the data infrastructure that underlies embodied learning. In this survey, we argue that future advances in VLA will depend less on model architecture and more on the co-design of high-fidelity data engines and structured evaluation protocols. To this end, we present a systematic, data-centric analysis of VLA research organized around three pillars: datasets, benchmarks, and data engines. For datasets, we categorize real-world and synthetic corpora along embodiment diversity, modality composition, and action space formulation, revealing a persistent fidelity-cost trade-off that fundamentally constrains large-scale collection. For benchmarks, we analyze task complexity and environment structure jointly, exposing structural gaps in compositional generalization and long-horizon reasoning evaluation that existing protocols fail to address. For data engines, we examine simulation-based, video-reconstruction, and automated task-generation paradigms, identifying their shared limitations in physical grounding and sim-to-real transfer. Synthesizing these analyses, we distill four open challenges: representation alignment, multimodal supervision, reasoning assessment, and scalable data generation. Addressing them, we argue, requires treating data infrastructure as a first-class research problem rather than a background concern.

  • 10 authors
·
Apr 23

Train Separately, Merge Together: Modular Post-Training with Mixture-of-Experts

Extending a fully post-trained language model with new domain capabilities is fundamentally limited by monolithic training paradigms: retraining from scratch is expensive and scales poorly, while continued training often degrades existing capabilities. We present BAR (Branch-Adapt-Route), which trains independent domain experts, each through its own mid-training, supervised finetuning, and reinforcement learning pipeline, and composes them via a Mixture-of-Experts architecture with lightweight router training. Unlike retraining approaches that mix all domains and require full reprocessing for any update (with cost scaling quadratically), BAR enables updating individual experts independently with linear cost scaling and no degradation to existing domains. At the 7B scale, with experts for math, code, tool use, and safety, BAR achieves an overall score of 49.1 (averaged across 7 evaluation categories), matching or exceeding re-training baselines (47.8 without mid-training, 50.5 with). We further show that modular training provides a structural advantage: by isolating each domain, it avoids the catastrophic forgetting that occurs when late-stage RL degrades capabilities from earlier training stages, while significantly reducing the cost and complexity of updating or adding a domain. Together, these results suggest that decoupled, expert-based training is a scalable alternative to monolithic retraining for extending language models.

  • 6 authors
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Apr 19

From Pixel to Coding: Evaluating the Figure Reproduction Capabilities of MLLMs

Multimodal Large Language Models (MLLMs) have demonstrated impressive capabilities in both visual understanding and code generation. However, existing benchmarks typically evaluate these two modalities in isolation, lacking a dedicated assessment of their unification, i.e., how a model can perceive complex visual structures and synthesize them into precise, executable code. Moreover, current visual code generation benchmarks often rely on simplified layouts within single programming environments, falling short of evaluating true unified multimodal reasoning. To bridge this gap, we propose FigCodeBench, a comprehensive framework for rigorously evaluating MLLMs on figure reproduction, integrating multimodal comprehension and generation. We first design a systematic dataset construction pipeline, resulting in a total of 6,194 instances that cover 7 functional categories and 4 types of programming languages. We further categorize figure reproduction into three tiers with visual and code complexity modeling, specifically targeting complex structural reasoning, varying aspect ratios, and dense geometric constraints. We introduce a multi-dimensional evaluation protocol, encompassing visual fidelity and syntactic isomorphism, that aligns highly with the Mean Machine Opinion Score (MMOS) and human preferences. Based on our framework, we conducted extensive experiments on 24 widely used proprietary and open-source MLLMs (e.g., Gemini 3.1 Pro, GPT-5.4, and Kimi-K2.5), where we observed a universal, non-linear performance cliff across different programming languages and difficulty scenarios for all models, and gained several insights, such as the significant metric decline in rigid declarative languages.

  • 10 authors
·
Oct 6 1

When Does Trajectory-Level Supervision Permit Efficient Offline Reinforcement Learning?

Offline reinforcement learning is typically analyzed under process-level reward supervision, yet many sequential decision datasets record only trajectory-level outcomes. We develop a statistical theory for offline policy optimization from such outcome-level supervision. We first study the canonical setting where the target remains the expected cumulative reward, but each offline trajectory provides only a scalar label whose conditional mean is the cumulative return. We propose OPAC, a pessimistic actor-critic algorithm that learns a latent reward model and optimizes a policy from trajectory-level labels. We prove a high-probability guarantee of order widetilde O(H^2C_{sa(π^star)/n}) and a matching lower bound, characterizing the sharp statistical cost of replacing process-level rewards with one trajectory-level label. We then extend the principle to preference-based feedback, preserving the leading horizon and concentrability dependence up to preference-model constants. Finally, we study generalized outcome-based offline RL, where both the supervision and the objective are trajectory-level quantities induced by a nonlinear aggregation of latent per-step rewards. This problem is not learnable in general: for all-success objectives, any offline learner may require Ω(2^H) trajectories even with deterministic transitions and constant concentrability. We then identify a tractable regime through two structural coefficients, κ_μ(σ) and χ_μ(σ), capturing information loss in outcome aggregation and generalized Bellman updates, under which generalized OPAC achieves polynomial sample complexity. Together, our results delineate when outcome-level supervision enables sample-efficient offline control and when missing process-level rewards create fundamental statistical barriers.

Weaving Visual Narratives: Agentic Image Bundle Composition Beyond Atomic Visual Matching

Image retrieval has traditionally been formulated as a point-wise matching problem, where each candidate image is scored in isolation. However, this atomic paradigm fails to capture the complexity of human search intent within personal photo collections, where users often seek compact visual stories bound by structural relations rather than isolated snapshots. To address this limitation, we introduce **Image Bundle Composition (IBC)**, a novel paradigm that shifts the objective from ranking individual images to dynamically composing cohesive image bundles from a massive, unstructured photo pool. Since target bundles are not predefined, IBC presents a severe combinatorial explosion challenge and demands modeling non-decomposable joint relevance. To establish this paradigm, we construct **IBCBench**, the first IBC benchmark dataset containing 109,467 images and 667 verified queries, built via a semi-automated verification pipeline. Furthermore, we propose **BundleWeaver**, an agentic framework that reformulates IBC as query-conditioned incremental hyperedge discovery. By employing a Large Language Model to adaptively search for missing relational roles and utilizing a Vision-Language Model for whole-bundle verification, BundleWeaver effectively navigates the combinatorial space. Extensive experiments demonstrate that while state-of-the-art embedding models and static decompose-and-rerank paradigms suffer from relational blindness, BundleWeaver achieves substantial performance gains, highlighting the necessity of shifting from atomic scoring to dynamic relational composition. Our dataset and code are available.

StrucText-Eval: Evaluating Large Language Model's Reasoning Ability in Structure-Rich Text

The effective utilization of structured data, integral to corporate data strategies, has been challenged by the rise of large language models (LLMs) capable of processing unstructured information. This shift prompts the question: can LLMs interpret structured data directly in its unstructured form? We propose an automatic evaluation data generation method for assessing LLMs' reasoning capabilities on structure-rich text to explore this. Our approach supports 8 structured languages and 29 tasks, generating data with adjustable complexity through controllable nesting and structural width. We introduce StrucText-Eval, a benchmark containing 5,800 pre-generated and annotated samples designed to evaluate how well LLMs understand and reason through structured text. StrucText-Eval is divided into two suites: a regular Test suite (3,712 samples) and a Test-Hard suite (2,088 samples), the latter emphasizing the gap between human and model performance on more complex tasks. Experimental results show that while open-source LLMs achieve a maximum accuracy of 74.9\% on the standard dataset, their performance drops significantly to 45.8\% on the harder dataset. In contrast, human participants reach an accuracy of 92.6\% on StrucText-Eval-Hard, highlighting LLMs' current limitations in handling intricate structural information. The benchmark and generation codes are open sourced in https://github.com/MikeGu721/StrucText-Eval

  • 6 authors
·
Jun 15, 2024

TIDY: Thermal Infrared Image Denoising via Wavelet Domain Entropy and Directional Stripe Index

Thermal infrared (TIR) imaging has been a popular choice for field robotics due to its robust perception capability under low light visual degradation, but it suffers from severe stochastic and fixed-pattern noise that breaks downstream estimation. This noise is intensified indoors due to low thermal contrast and uniform temperature distributions, contributing to the relative lack of indoor TIR deployments. Existing TIR denoising methods exhibit a poor accuracy-efficiency tradeoff, either too slow for online deployment required in robotics or insufficiently robust to severe degradation, while typically being trained on synthetic noise. Addressing these problems, we propose TIDY, a lightweight wavelet-domain denoiser trained on real clean-noisy TIR data. By reformulating TIR denoising in the wavelet domain, TIDY explicitly disentangles noise from structural content, enabling targeted suppression with reduced spatial complexity, significantly improving inference speed over prior methods (~34Hz). TIDY introduces two new metrics, Wavelet Entropy and Wavelet Directional Stripe Index, as complementary loss terms to explicitly suppress stochastic noise and stripe artifacts. Across severe indoor corruption and zero-shot settings, TIDY improves robustness and yields consistent gains in downstream robotics tasks including thermal inertial odometry and monocular depth estimation. Code and dataset is available at: https://github.com/williamrheeth/TIDY

  • 3 authors
·
Jun 17

MuseCritic: Learning Multi-Aspect Song Rewards through Natural-Language Aesthetic Critiques

Long-form song generation models continue to improve in duration, structural integrity, and acoustic complexity, making reliable aesthetic rewards increasingly important for aligning these models with human preferences. However, reward models for complete songs remain limited, and existing evaluators typically predict scores in a single forward pass without providing readable explanations. We introduce MUSECRITIC, a semi-scalar reward model that generates a natural-language critique covering five aesthetic dimensions and uses it as an intermediate representation to predict continuous reward scores. MUSECRITIC follows a two-stage training pipeline: a teacher model first provides high-quality critiques for supervised fine-tuning, after which the fine-tuned model generates its own critiques for reward learning, mitigating distribution shift between training and inference. On an in-domain test set of 200 SongEval songs, MUSECRITIC reduces macro-averaged mean squared error from 0.2875 to 0.2316 and improves macro-averaged LCC, SRCC, and Kendall's tau to 0.9068, 0.8838, and 0.7178, respectively. On the out-of-domain Music Arena benchmark with 733 preference pairs, it achieves the highest accuracy of 71.35%. Moreover, using MUSECRITIC with GRPO improves Muse-0.6B on all nine aesthetic metrics from SongEval and Audiobox Aesthetics. These results demonstrate that critique-conditioned reward modeling reduces scoring error and provides an effective optimization signal for song generation. The project repository is available at https://github.com/WuqnEl/MuseCritic.

  • 14 authors
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Aug 11